SCHEMBL8114355

SCHEMBL8114355

CC(CC(=O)c1ccccc1)C(=O)[O-].[Cs+]

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 4/20 0.60
ALDH1A1 P00352 4/20 0.60
MAPT P10636 3/20 0.60
SMN1; SMN2 Q16637 3/20 0.60
HPGD P15428 2/20 0.60
LMNA P02545 2/20 0.60
TSHR P16473 1/20 0.53
KMT2A Q03164 4/20 0.50
MEN1 O00255 3/20 0.49
NPC1 O15118 2/20 0.49
MAPK1 P28482 2/20 0.47
KDM4E B2RXH2 2/20 0.47
CYP3A4 P08684 1/20 0.47
ALOX15 P16050 1/20 0.47
CES1 P23141 1/20 0.47
TDP1 Q9NUW8 1/20 0.47
NPSR1 Q6W5P4 2/20 0.46
POLB P06746 1/20 0.46
HTT P42858 1/20 0.46
PTPN1 P18031 2/20 0.46

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL135355 0.82 L3MBTL1 (0.66) L3MBTL1ALDH1A1MAPTSMN1; SMN2HPGD
SCHEMBL25645639 0.81 L3MBTL1 (0.64) L3MBTL1ALDH1A1MAPTSMN1; SMN2HPGD
SCHEMBL8675027 0.81 L3MBTL1 (0.64) L3MBTL1ALDH1A1MAPTSMN1; SMN2HPGD
SCHEMBL11011562 0.79 L3MBTL1 (0.62) L3MBTL1ALDH1A1MAPTSMN1; SMN2HPGD
SCHEMBL10921663 0.79 L3MBTL1 (0.62) L3MBTL1ALDH1A1MAPTSMN1; SMN2HPGD
SCHEMBL28049900 0.79 L3MBTL1 (0.62) L3MBTL1ALDH1A1MAPTSMN1; SMN2HPGD
SCHEMBL10921665 0.79 L3MBTL1 (0.62) L3MBTL1ALDH1A1MAPTSMN1; SMN2HPGD
SCHEMBL11177908 0.79 L3MBTL1 (0.62) L3MBTL1ALDH1A1MAPTSMN1; SMN2HPGD
SCHEMBL9799560 0.78 TSHR (0.63) L3MBTL1ALDH1A1MAPTSMN1; SMN2HPGD
SCHEMBL2026026 0.78 TSHR (0.63) L3MBTL1ALDH1A1MAPTSMN1; SMN2HPGD

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6126855-A Reaction products of lyotropic liquid crystal salt complexes ELLIOTT STANLEY B (US) 2000-10-03 US disclosed
US-5833877-A DIAGMAGNETIC COMPLEX; SUPERCONDUCTORS ELLIOTT STANLEY B (US) 1998-11-10 US disclosed
WO-1998001511-A1 REACTION PROCUCTS OF LYOTROPIC LIQUID CRYSTAL SALT COMPLEXES ELLIOTT STANLEY B (US) 1998-01-15 WO disclosed